2-[methyl-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]amino]ethanol

C12H16N2O2S — CID 60712307

IUPAC2-[methyl-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]amino]ethanol
SMILESCc1oc(-c2cccs2)nc1CN(C)CCO
InChIInChI=1S/C12H16N2O2S/c1-9-10(8-14(2)5-6-15)13-12(16-9)11-4-3-7-17-11/h3-4,7,15H,5-6,8H2,1-2H3
InChIKeyOSURPHGQUUDFRC-UHFFFAOYSA-N
MW252.34 g/mol
LogP2.14
Rot. Bonds5

About 2-[methyl-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]amino]ethanol

2-[methyl-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]amino]ethanol (PubChem CID 60712307) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is 2-[methyl-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-[methyl-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]amino]ethanol
PubChem CID60712307
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC Name2-[methyl-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]amino]ethanol
SMILESCc1oc(-c2cccs2)nc1CN(C)CCO
InChIInChI=1S/C12H16N2O2S/c1-9-10(8-14(2)5-6-15)13-12(16-9)11-4-3-7-17-11/h3-4,7,15H,5-6,8H2,1-2H3
InChIKeyOSURPHGQUUDFRC-UHFFFAOYSA-N
XLogP2.14
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-methyl-3-[methyl-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]amino]propanoate
CID 60965751
1-methoxy-3-[methyl-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]amino]propan-2-ol
CID 62015754
N-methyl-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]cyclohexanamine
CID 26318795
4-(chloromethyl)-5-methyl-2-thiophen-2-yl-1,3-oxazole
CID 5076491
1-(2-chloro-6-fluorophenyl)-N-methyl-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]methanamine
CID 18144723
3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]propan-1-ol
CID 66128721
2-[cyclopropyl-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]amino]acetic acid
CID 60834843
4-(2-bromoethyl)-5-methyl-2-thiophen-2-yl-1,3-oxazole
CID 23352157
N-methyl-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]oxolan-3-amine
CID 45191507
(2S,3S)-3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]butan-2-ol
CID 96535838
N-(2-aminoethyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 119384938
N-[(3-chlorophenyl)methyl]-N-methyl-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 24665990

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]amino]ethanol?
The IUPAC name of 2-[methyl-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]amino]ethanol (CID 60712307) is 2-[methyl-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]amino]ethanol.
What is the SMILES notation for 2-[methyl-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]amino]ethanol?
The canonical SMILES for 2-[methyl-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]amino]ethanol is Cc1oc(-c2cccs2)nc1CN(C)CCO.
What is the InChIKey of 2-[methyl-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]amino]ethanol?
The InChIKey is OSURPHGQUUDFRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S/c1-9-10(8-14(2)5-6-15)13-12(16-9)11-4-3-7-17-11/h3-4,7,15H,5-6,8H2,1-2H3.
What are the key properties of 2-[methyl-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]amino]ethanol?
2-[methyl-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]amino]ethanol has a molecular weight of 252.34 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]amino]ethanol is sourced from PubChem (CID 60712307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).